ESTRAMUSTINE PHOSPHATE SODIUM

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Trade Names:
Synonyms:
Status: Approved (1981)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: IQ856M1R16
Parent Compound: ESTRAMUSTINE

Structure
InChI Key IIUMCNJTGSMNRO-VVSKJQCTSA-L
Smile C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+]
InChI
InChI=1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30Cl2NNa2O6P
Molecular Weight 564.35
AlogP 5.3
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 96.3
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
13.89
General disorders and administration site conditions
13.89
Respiratory, thoracic and mediastinal disorders
9.92
Cardiac disorders
7.54
Nervous system disorders
7.34
Vascular disorders
7.14
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
4.37
Metabolism and nutrition disorders
4.17
Injury, poisoning and procedural complications
3.97
Reproductive system and breast disorders
3.77
Hepatobiliary disorders
3.57
Investigations
2.58
Blood and lymphatic system disorders
2.38
Eye disorders
2.38
Infections and infestations
2.38
Renal and urinary disorders
2.38
Skin and subcutaneous tissue disorders
2.38

Cross References

Resources Reference
ChEBI 31562
ChEMBL CHEMBL1200721
EPA CompTox DTXSID2048953
FDA SRS IQ856M1R16
KEGG C13031
PubChem 23725080
SureChEMBL SCHEMBL19436
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